CID 566659

Rac-(1r,2s)-1-methylcyclopropane-1,2-dicarboxylic acid

Structural Information

Molecular Formula
C6H8O4
SMILES
CC1(CC1C(=O)O)C(=O)O
InChI
InChI=1S/C6H8O4/c1-6(5(9)10)2-3(6)4(7)8/h3H,2H2,1H3,(H,7,8)(H,9,10)
InChIKey
CUXGZYHWQYTLKE-UHFFFAOYSA-N
Compound name
1-methylcyclopropane-1,2-dicarboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

63
Patents

144.04225 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 145.04953 126.4
[M+Na]+ 167.03147 136.4
[M-H]- 143.03497 129.2
[M+NH4]+ 162.07607 143.6
[M+K]+ 183.00541 134.9
[M+H-H2O]+ 127.03951 123.1
[M+HCOO]- 189.04045 146.5
[M+CH3COO]- 203.05610 172.9
[M+Na-2H]- 165.01692 131.3
[M]+ 144.04170 129.3
[M]- 144.04280 129.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe